2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine

C10H13NS — CID 114827412

IUPAC2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCc1cccc2c1SC(C)CN2
InChIInChI=1S/C10H13NS/c1-7-4-3-5-9-10(7)12-8(2)6-11-9/h3-5,8,11H,6H2,1-2H3
InChIKeyHSDCYRPRGMHNNT-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.90
Rot. Bonds

About 2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine

2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 114827412) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID114827412
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCc1cccc2c1SC(C)CN2
InChIInChI=1S/C10H13NS/c1-7-4-3-5-9-10(7)12-8(2)6-11-9/h3-5,8,11H,6H2,1-2H3
InChIKeyHSDCYRPRGMHNNT-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 71742733
2-methyl-3,4-dihydro-2H-1,4-benzothiazine-8-carboxylic acid
CID 115096444
2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79001888
2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618469
9-fluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 115098272
3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 115095460
(2S)-6-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 99716164
6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619645
1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole
CID 163282273
7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84623984
3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
CID 114827419
3-ethyl-6-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 115554343

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine (CID 114827412) is 2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine is Cc1cccc2c1SC(C)CN2.
What is the InChIKey of 2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is HSDCYRPRGMHNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-4-3-5-9-10(7)12-8(2)6-11-9/h3-5,8,11H,6H2,1-2H3.
What are the key properties of 2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 179.29 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 114827412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).